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CHEBI:141989 - 7-deoxyloganetic aldehyde

ChEBI IDCHEBI:141989
ChEBI Name7-deoxyloganetic aldehyde
Stars
DefinitionA cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a formyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer).
Last Modified14 September 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H14O3
Net Charge0
Average Mass182.219
Monoisotopic Mass182.09429
SMILES[H][C@]12[C@H](O)OC=C(C=O)[C@@]1([H])CC[C@@H]2C
InChIInChI=1S/C10H14O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h4-6,8-10,12H,2-3H2,1H3/t6-,8+,9+,10+/m0/s1
InChIKeyVWIYAPDYXJYDDI-JZKKDOLYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
7-deoxyloganetic aldehyde (CHEBI:141989) has functional parent 7-deoxyloganetic acid (CHEBI:77027)
7-deoxyloganetic aldehyde (CHEBI:141989) has role plant metabolite (CHEBI:76924)
7-deoxyloganetic aldehyde (CHEBI:141989) is a aldehyde (CHEBI:17478)
7-deoxyloganetic aldehyde (CHEBI:141989) is a cyclopentapyran (CHEBI:38606)
7-deoxyloganetic aldehyde (CHEBI:141989) is a iridoid monoterpenoid (CHEBI:50563)
7-deoxyloganetic aldehyde (CHEBI:141989) is a lactol (CHEBI:38131)
IUPAC Name 
(1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde
Synonym  Source
iridotrialMetaCyc
UniProt Name  Source
7-deoxyloganetic aldehydeUniProt
Manual XrefsDatabases
CPD-16440MetaCyc
Citations